[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol

C14H11FO4 — CID 141171878

IUPAC[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(C2OC=CO2)o1
InChIInChI=1S/C14H11FO4/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-8,13-14,16H
InChIKeyBKCRVVUXJUFQEY-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.02
Rot. Bonds3

About [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol

[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol (PubChem CID 141171878) has the molecular formula C14H11FO4 and a molecular weight of 262.24 g/mol. Its IUPAC name is [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
PubChem CID141171878
Molecular FormulaC14H11FO4
Molecular Weight262.24 g/mol
Exact Mass262.06
IUPAC Name[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(C2OC=CO2)o1
InChIInChI=1S/C14H11FO4/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-8,13-14,16H
InChIKeyBKCRVVUXJUFQEY-UHFFFAOYSA-N
XLogP3.02
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[5-(1,3-dioxolan-2-yl)furan-2-yl]-(4-fluorophenyl)methanol
CID 129383188
(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
CID 163397111
(4-ethylphenyl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 63893193
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
CID 11729750
CID 11729750
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(2-bromo-6-fluoro-4-methylphenyl)-(4-fluorophenyl)methanol
CID 171366941
(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
CID 97292896
(4-fluorophenyl)-(1,3-oxazol-2-yl)methanol
CID 68870928
2,3-dihydrofuran-5-yl-(4-fluorophenyl)methanol
CID 102650533
2-fluoro-1-(4-fluorophenyl)-2-methylpropan-1-ol
CID 130561742

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol (CID 141171878) is [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc(C2OC=CO2)o1.
What is the InChIKey of [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is BKCRVVUXJUFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO4/c15-10-3-1-9(2-4-10)13(16)11-5-6-12(19-11)14-17-7-8-18-14/h1-8,13-14,16H.
What are the key properties of [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol?
[5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 262.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxol-2-yl)furan-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 141171878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).